tert-butyl (2R)-2-carbamoyl-5-methylsulfanylpiperidine-1-carboxylate

C12H22N2O3S — CID 155245632

IUPACtert-butyl (2R)-2-carbamoyl-5-methylsulfanylpiperidine-1-carboxylate
SMILESCSC1CC[C@H](C(N)=O)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H22N2O3S/c1-12(2,3)17-11(16)14-7-8(18-4)5-6-9(14)10(13)15/h8-9H,5-7H2,1-4H3,(H2,13,15)/t8?,9-/m1/s1
InChIKeyAVBADDRXYKYHMC-YGPZHTELSA-N
MW274.39 g/mol
LogP1.60
Rot. Bonds2

About tert-butyl (2R)-2-carbamoyl-5-methylsulfanylpiperidine-1-carboxylate

tert-butyl (2R)-2-carbamoyl-5-methylsulfanylpiperidine-1-carboxylate (PubChem CID 155245632) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is tert-butyl (2R)-2-carbamoyl-5-methylsulfanylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-carbamoyl-5-methylsulfanylpiperidine-1-carboxylate
PubChem CID155245632
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Nametert-butyl (2R)-2-carbamoyl-5-methylsulfanylpiperidine-1-carboxylate
SMILESCSC1CC[C@H](C(N)=O)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H22N2O3S/c1-12(2,3)17-11(16)14-7-8(18-4)5-6-9(14)10(13)15/h8-9H,5-7H2,1-4H3,(H2,13,15)/t8?,9-/m1/s1
InChIKeyAVBADDRXYKYHMC-YGPZHTELSA-N
XLogP1.60
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 67557534
tert-butyl (2S,4S)-4-amino-2-carbamoylpyrrolidine-1-carboxylate
CID 21308807
5-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 165453989
tert-butyl (2S,4R)-2-carbamoyl-4-carbamoyloxypyrrolidine-1-carboxylate
CID 56632300
tert-butyl (2S)-2-acetylaziridine-1-carboxylate
CID 125477207
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridine-2-carboxylic acid
CID 53482071
(2S,5S)-5-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 66776878
tert-butyl 2-acetyl-5-hydroxypiperidine-1-carboxylate
CID 160765537
1-O-tert-butyl 2-O-methyl (2S,5S)-5-aminopiperidine-1,2-dicarboxylate
CID 118989052
tert-butyl 4-acetyl-2-carbamoylpiperazine-1-carboxylate
CID 164925312
(2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt
CID 156758166
tert-butyl (2R,5R)-2-[(4-chlorophenyl)methyl]-5-methylsulfanylpiperidine-1-carboxylate
CID 169321166

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-carbamoyl-5-methylsulfanylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-carbamoyl-5-methylsulfanylpiperidine-1-carboxylate (CID 155245632) is tert-butyl (2R)-2-carbamoyl-5-methylsulfanylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-carbamoyl-5-methylsulfanylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-carbamoyl-5-methylsulfanylpiperidine-1-carboxylate is CSC1CC[C@H](C(N)=O)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (2R)-2-carbamoyl-5-methylsulfanylpiperidine-1-carboxylate?
The InChIKey is AVBADDRXYKYHMC-YGPZHTELSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-12(2,3)17-11(16)14-7-8(18-4)5-6-9(14)10(13)15/h8-9H,5-7H2,1-4H3,(H2,13,15)/t8?,9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-carbamoyl-5-methylsulfanylpiperidine-1-carboxylate?
tert-butyl (2R)-2-carbamoyl-5-methylsulfanylpiperidine-1-carboxylate has a molecular weight of 274.39 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-carbamoyl-5-methylsulfanylpiperidine-1-carboxylate is sourced from PubChem (CID 155245632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).